SCHEMBL3480669

SCHEMBL3480669

Cc1cc(OCCCCl)c(OCCCCl)cc1-c1ccc(S(N)(=O)=O)s1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.41
CA1 P00915 16/20 0.41
CA12 O43570 15/20 0.41
CA9 Q16790 15/20 0.41
PDIA6 Q15084 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3483836 0.82 MCL1 (0.34) NPC1RAB9A
SCHEMBL3480400 0.81 CA2 (0.46) CA2CA1CA12CA9NPC1
SCHEMBL3480726 0.81 CA2 (0.39) CA2CA1CA12CA9
SCHEMBL3480078 0.80 PPARA (0.32) NPC1
SCHEMBL3480406 0.80 LMNA (0.34) NPC1
SCHEMBL3480405 0.80 LMNA (0.34) NPC1
SCHEMBL3480804 0.80 CA2 (0.41) CA2CA1CA12CA9NPC1
SCHEMBL3480413 0.79 MAP3K5 (0.35)
SCHEMBL3480050 0.74 CA2 (0.49) CA2CA1CA12CA9NPC1
SCHEMBL22901442 0.73 CA1 (0.51) CA2CA1CA12CA9NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US disclosed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO disclosed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 CA2 2070/4885CA1 4284/4885CA12 4357/4885
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS CA2 440/4885CA1 3102/4885CA12 3327/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.